3-ethyl-1H-pyrrolo[2,1-c][1,2,4]triazole

C7H9N3 — CID 89233343

IUPAC3-ethyl-1H-pyrrolo[2,1-c][1,2,4]triazole
SMILESCCc1n[nH]c2cccn12
InChIInChI=1S/C7H9N3/c1-2-6-8-9-7-4-3-5-10(6)7/h3-5,9H,2H2,1H3
InChIKeyUSFZQSCJOTTZJZ-UHFFFAOYSA-N
MW135.17 g/mol
LogP1.22
Rot. Bonds1

About 3-ethyl-1H-pyrrolo[2,1-c][1,2,4]triazole

3-ethyl-1H-pyrrolo[2,1-c][1,2,4]triazole (PubChem CID 89233343) has the molecular formula C7H9N3 and a molecular weight of 135.17 g/mol. Its IUPAC name is 3-ethyl-1H-pyrrolo[2,1-c][1,2,4]triazole.

Molecular Properties

Compound Name3-ethyl-1H-pyrrolo[2,1-c][1,2,4]triazole
PubChem CID89233343
Molecular FormulaC7H9N3
Molecular Weight135.17 g/mol
Exact Mass135.08
IUPAC Name3-ethyl-1H-pyrrolo[2,1-c][1,2,4]triazole
SMILESCCc1n[nH]c2cccn12
InChIInChI=1S/C7H9N3/c1-2-6-8-9-7-4-3-5-10(6)7/h3-5,9H,2H2,1H3
InChIKeyUSFZQSCJOTTZJZ-UHFFFAOYSA-N
XLogP1.22
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1H-pyrrolo[2,1-c][1,2,4]triazole?
The IUPAC name of 3-ethyl-1H-pyrrolo[2,1-c][1,2,4]triazole (CID 89233343) is 3-ethyl-1H-pyrrolo[2,1-c][1,2,4]triazole.
What is the SMILES notation for 3-ethyl-1H-pyrrolo[2,1-c][1,2,4]triazole?
The canonical SMILES for 3-ethyl-1H-pyrrolo[2,1-c][1,2,4]triazole is CCc1n[nH]c2cccn12.
What is the InChIKey of 3-ethyl-1H-pyrrolo[2,1-c][1,2,4]triazole?
The InChIKey is USFZQSCJOTTZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3/c1-2-6-8-9-7-4-3-5-10(6)7/h3-5,9H,2H2,1H3.
What are the key properties of 3-ethyl-1H-pyrrolo[2,1-c][1,2,4]triazole?
3-ethyl-1H-pyrrolo[2,1-c][1,2,4]triazole has a molecular weight of 135.17 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1H-pyrrolo[2,1-c][1,2,4]triazole is sourced from PubChem (CID 89233343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).